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Compound InformationSONAR Target prediction
Name:

CYCLOBENZAPRINE HYDROCHLORIDE

Unique Identifier:SPE01503207
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:289.673 g/mol
X log p:24.082  (online calculus)
Lipinksi Failures1
TPSA3.24
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:3
Canonical Smiles:Cl.CN(C)CCC=C1c2ccccc2C=Cc2ccccc21
Source:synthetic
Therapeutics:muscle relaxant (skeletal)
Generic_name:Cyclobenzaprine
Chemical_iupac_name:3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine
Drug_type:Approved Drug
Pharmgkb_id:PA449160
Kegg_compound_id:C06931
Drugbank_id:APRD00213
Melting_point:216-218 oC (HCl salt)
H2o_solubility:Freely Soluble
Logp:4.974
Isoelectric_point:8.47
Cas_registry_number:303-53-7
Drug_category:Tranquilizing Agents; Muscle Relaxants; Antidepressive Agents, Tricyclic; Skeletal
Muscle Relaxants; ATC:M03BX08
Indication:For use as an adjunct to rest and physical therapy for relief of muscle spasm
associated with acute, painful musculoskeletal conditions.
Pharmacology:Cyclobenzaprine, closely related to the antidepressant amitriptyline, is used as a
skeletal muscle relaxant to reduce pain and tenderness and improve mobility. Unlike
dantrolene, cyclobenzaprine cannot be used to treat muscle spasm secondary to
cerebral or spinal cord disease.
Mechanism_of_action:Like other tricyclic antidepressants, cyclobenzaprine exhibits anticholinergic
activity, potentiation of norepinephrine, and antagonism of reserpine.
Cyclobenzaprine does not directly act on the neuromuscular junction or the muscle
but relieves muscle spasms through a central action, possibly at the brain stem
level. Cyclobenzaprine binds to the serotonin receptor and is considered a 5-HT2
receptor antagonist that reduces muscle tone by decreasing the activity of
descending serotonergic neurons.
Organisms_affected:Humans and other mammals

Found: 34 active | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [34]
Species: 4932
Condition: SPE01800170
Replicates: 2
Raw OD Value: r im 0.7207±0.00629325
Normalized OD Score: sc h 1.1098±0.0116111
Z-Score: 4.6676±0.21689
p-Value: 0.00000389166
Z-Factor: -1.57889
Fitness Defect: 12.4567
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|F3
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:22.20 Celcius
Date:2006-12-12 YYYY-MM-DD
Plate CH Control (+):0.039575±0.00173
Plate DMSO Control (-):0.642825±0.07004
Plate Z-Factor:0.8172
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DBLink | Rows returned: 5
2895
9917
9918
22576
5351883

internal high similarity DBLink | Rows returned: 1
LOPAC 00773 1.0000

active | Cluster 554 | Additional Members: 4 | Rows returned: 0

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